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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dilute Pd-in-Au alloy RCT-SiO 2 catalysts for enhanced oxidative methanol coupling

Dilute alloy catalysts have the potential to enhance selectivity and activity for large-scale reactions. Highly dilute Pd-in-Au nanoparticle alloys partially embedded in porous silica (“raspberry colloid templated” (RCT)-SiO 2 ) prove to be robust and selective catalysts for oxidative coupling of methanol. Palladium concentrations in the bimetallic nanoparticles as low as ~3.4 at.% catalyze the production of methyl formate with a selectivity of ~95% at conversions of ~55%, whereas conversions are low (<10%) for ~1.7 at.% Pd-in-Au nanoparticle and pure Au nanoparticle catalysts. Fractional reaction orders for both CH 3 OH and O 2 measured for ~3.4 at.% Pd-in-Au nanoparticles supported on RCT-SiO 2 indicated a complex mechanism in which the sites for O 2 dissociation are not saturated. Optimal methyl formate production was found for an equimolar mixture. There is no conversion of methanol in the absence of O 2 between 360 and 450 K. Finally, all observations are consistent with a mechanism derived from model studies, requiring that clusters of Pd be available on the catalyst for O 2 dissociation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Machine Learning and IAST-Aided High-Throughput Screening of Cationic and Silica Zeolites for Alkane Capture, Storage, and Separations

We present an approach for quantitatively predicting the temperature-dependent single-component adsorption behavior of linear alkanes in silica and Na-exchanged cationic zeolites using machine learning (ML) models trained from extensive molecular simulations based on force fields with coupled cluster accuracy. A high-performing classification model was developed to distinguish between instances with negligible and non-negligible adsorption. Subsequently, two ML models were trained to predict the single-component adsorption loading and the heat of adsorption at any pressure at 300 K for any zeolite topology and silicon-to-aluminum ratio. The ML models were trained on International Zeolite Association (IZA) zeolites, and their transferability to hypothetical zeolites was successfully validated. We then expand the power of these predictions to adsorbed mixtures at arbitrary temperatures by integrating them with the Clausius–Clapeyron equation and ideal adsorbed solution theory (IAST). This approach was validated and then applied to a temperature swing adsorption separation process to demonstrate its practical utility. We demonstrate how predictions from this ML-enabled approach can allow the selection of high-performing materials that are then validated using detailed molecular simulations based on quantitatively accurate force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Carbon-13 Radiofrequency Amplification by Stimulated Emission of Radiation of the Hyperpolarized Ketone and Hemiketal Forms of Allyl [1- 13 C]Pyruvate

13 C hyperpolarized pyruvate is an emerging MRI contrast agent for sensing molecular events in cancer and other diseases with aberrant metabolic pathways. This metabolic contrast agent can be produced via several hyperpolarization techniques. Despite remarkable success in research settings, widespread clinical adoption faces substantial roadblocks because the current sensing technology utilized to sense this contrast agent requires the excitation of 13 C nuclear spins that also need to be synchronized with MRI field gradient pulses. Here, we demonstrate sensing of hyperpolarized allyl [1- 13 C]pyruvate via the stimulated emission of radiation that mitigates the requirements currently blocking broader adoption. Specifically, 13 C Radiofrequency Amplification by Stimulated Emission of Radiation ( 13 C RASER) was obtained after pairwise addition of parahydrogen to a pyruvate precursor, detected in a commercial inductive detector with a quality factor (Q) of 32 for sample concentrations as low as 0.125 M with 13 C polarization of 4%. Moreover, parahydrogen-induced polarization allowed for the preparation of a mixture of ketone and hemiketal forms of hyperpolarized allyl [1- 13 C]pyruvate, which are separated by 10 ppm in 13 C NMR spectra. This is a good model system to study the simultaneous 13 C RASER signals of multiple 13 C species. This system models the metabolic production of hyperpolarized [1- 13 C]lactate from hyperpolarized [1- 13 C]pyruvate, which has a similar chemical shift difference. Our results show that 13 C RASER signals can be obtained from both species simultaneously when the emission threshold is exceeded for both species. On the other hand, when the emission threshold is exceeded only for one of the hyperpolarized species, 13 C stimulated emission is confined to this species only, therefore enabling the background-free detection of individual hyperpolarized 13 C signals. Furthermore, the reported results pave the way to novel sensing approaches of 13 C hyperpolarized pyruvate, potentially unlocking hyperpolarized 13 C MRI on virtually any MRI system–an attractive vision for the future molecular imaging and diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Learning two-phase microstructure evolution using neural operators and autoencoder architectures

Abstract Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost of computationally taxing processes such as in optimization and design of materials. The intrinsic discontinuous nature of the physical phenomena incurred by the presence of sharp phase boundaries makes the training of the surrogate model cumbersome. We develop a framework that integrates a convolutional autoencoder architecture with a deep neural operator (DeepONet) to learn the dynamic evolution of a two-phase mixture and accelerate time-to-solution in predicting the microstructure evolution. We utilize the convolutional autoencoder to provide a compact representation of the microstructure data in a low-dimensional latent space. After DeepONet is trained in the latent space, it can be used to replace the high-fidelity phase-field numerical solver in interpolation tasks or to accelerate the numerical solver in extrapolation tasks.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Real-time image denoising of mixed Poisson–Gaussian noise in fluorescence microscopy images using ImageJ

Fluorescence microscopy imaging speed is fundamentally limited by the measurement signal-to-noise ratio (SNR). To improve image SNR for a given image acquisition rate, computational denoising techniques can be used to suppress noise. However, common techniques to estimate a denoised image from a single frame either are computationally expensive or rely on simple noise statistical models. These models assume Poisson or Gaussian noise statistics, which are not appropriate for many fluorescence microscopy applications that contain quantum shot noise and electronic Johnson–Nyquist noise, therefore a mixture of Poisson and Gaussian noise. In this paper, we show convolutional neural networks (CNNs) trained on mixed Poisson and Gaussian noise images to overcome the limitations of existing image denoising methods. The trained CNN is presented as an open-source ImageJ plugin that performs real-time image denoising (within tens of milliseconds) with superior performance (SNR improvement) compared to conventional fluorescence microscopy denoising methods. The method is validated on external datasets with out-of-distribution noise, contrast, structure, and imaging modalities from the training data and consistently achieves high-performance ( > <#comment/> 8 d B ) denoising in less time than other fluorescence microscopy denoising methods.

47 OTHER INSTRUMENTATION↗
NASA NTRS1984

Global variation of the para hydrogen fraction in Jupiter's atmosphere and implications for dynamics on the outer planets

A detailed analysis of the Voyager infrared spectrometer measurements on Jupiter's atmosphere is presented, and possible implications of para hydrogen disequilibrium for the energetics and dynamics of that atmosphere are examined. The method of data analysis is described, and results for the large scale latitude variation of the para hydrogen fraction are presented. The Jovian results show pronounced latitude variation, and are compared with other parameters including wind fields, thermal structure, and various indicators of atmospheric clouds. The problem of equilibration rate is reexamined, and it is concluded that on Jupiter the equilibration time is longer than the radiative time constant at the level of emission to space, but that this inequality reverses at greater depths. A model for the interaction of fluid motions with the ortho-para conversion process is presented, and a consistent mixing length theory for the reacting ortho-para mixture is developed. Several implications of the Jovian data for atmospheric energetics and stability on the outer planets are presented.

Conrath, B. J.↗
NASA NTRS1987

Spectroscopy of the Kleinmann-Low nebula - Scattering in a solid absorption band

Spectroscopic observations (2.4-3.6 microns) of BN, IRc 2, 3, and 4, and three scattering locations in the KL reflection nebula are reported. A previous report (Knacke et al., 1982) of a 2.97-micron spectral feature in the BN object is not confirmed in the new data. The 2.97-micron feature is observed in sources in the KL nebula, and the spectrum is distorted by a nearby hydrogen line. All the spectra are dominated by absorption along the radiation path, making scattering effects difficult to separate. Scattering could broaden the 3.1-micron interstellar-ice feature, but the effects appear to be small. Except for a long-wavelength wing, the spectra can be modeled reasonably well with core-mantle, silicate-water-ice grains. The wing position and intensity indicate bands of C-H groups of ammonia-ice mixtures.

Knacke, R. F.↗
NASA NTRS1988

Chemistry of the CO dimer at low temperatures

Researchers conducted a series of experiments on the chlorine-catalyzed photodecomposition of O sub 3 both in the gas and in inert solvents such as CF sub 4 and CO sub 2 in the temperature range about 190 to 225 K. The liquid medium was chosen in order to minimize possible surface loss of long-lived ClO dimer, and to aid in the stabilization of transient excited intermediates. The mechanism of dimer formation was as follows: (1) Cl sub 2 + hv yields Cl + Cl; (2) Cl + O sub 3 yields ClO + O sub 2; (3) ClO + ClO yields Cl sub 2 O sub 2. The experiments were done in cooled low temperature cells, with irradiation from an Osram high pressure mercury arc, filtered to remove radiation below 325 nm. Spectral analysis was by means of a Cary Model 2200 UV spectrometer. The principal objectives were: (1) to determine the lifetime of the dimer as a function of temperature; (2) to observe spectral changes in the mixtures which could be attributed to dimer or related products; and (3) to observe chemical or photochemical reactions of the dimer.

Demore, W. B.↗
NASA NTRS1988

On identifying parent plutonic rocks from lunar breccia and soil fragments

Breccia fragments expected from a well-studied boulder of Stillwater anorthosite have been modeled to test the ability to identify parental rock types from examination of breccia and soil fragments. Depending on their size, the boulder fragments give distributions that suggest mixtures of rock types, including monominerallic anorthosite with subordinant amounts of more gabbroic anorthosite, anorthosite, and gabbro for small fragments. The distribution of FeO in samples of lunar ferroan anorthosite (FAN) indicates that FAN has a heterogeneous distribution of mafic minerals like the boulder.

Haskin, Larry A.↗
NASA NTRS1990

Investgation of radiative interactions in high-speed entrance region flows

The influence of radiative energy transfer on the entrance region flow is investigated under supersonic and subsonic flow conditions in a channel. Two-dimensional compressible Navier-Stokes equations are solved numerically in conjunction with the radiative flux equations. The channel walls are assumed to be black. Nongray as well as pseudo gray gas models are used to represent the absorption-emission characteristic of the medium. The participating species considered are different amounts of water vapor in water vapor-air mixtures. Results obtained for different flow conditions indicate that the radiative interaction can moderately influence the overall energy transfer, but the flowfield is not changed significantly.

Tiwari, S. N.↗
NASA NTRS1992

Aqueous geochemistry on Mars: Possible clues from salts and clays in SNC meteorites

All subgroups of the shergottite, nakhlite, and chassignite (SNC) meteorites contain traces of water precipitated minerals that include various combinations of carbonates, sulfates, halides, ferric oxides, and aluminosilicate clays of preterrestrial origin. Oxygen three-isotope analysis of thermally extracted bulk water has confirmed that at least some of the water in SNC's is, indeed, extraterrestrial. A mixture of aqueous precipitates found in the SNC's, comprising smectite, illite, and gypsum (with minor halite +/- calcite and hematite), provides a self-consistent, though not unique, model for the bulk elemental composition of surface sediments at the Viking Lander sites. Therefore, if the salts and clays in SNC's are truly linked to aqueous alteration and soil formation on Mars, then the suite of SNC secondary minerals might provide the best currently available insight into near-surface martian chemistry.

Gooding, James L.↗
NASA NTRS2005

Scramjet Engine Flowpath Development for the Hyper-X Mach 10 Flight Test

The third flight of the Hyper-X Research Vehicle at nearly Mach 10 in November 2004 demonstrated the potential for airbreathing propulsion at hypersonic speeds. The flowpath of the scramjet engine used in the Hyper-X Research Vehicle was developed using computational fluid dynamic based design method in combination with a systematic series of ground tests in the NASA HyPulse Shock Tunnel at conditions duplicating Mach 10 flight. The test model was a true scale height and length of the internal flight engine flowpath that was partial width and truncated fore and aft. Tests were conducted using a mixture of hydrogen augmented with two-percent silane. Silane gas served as an ignition aid during the short duration of the pulse facility tests. The engine inflow values of pressure, temperature, and Mach number were parametrically varied during the ground test entries to broaden the database over the expected uncertainty in the flight conditions. A review of the ground test technique and comparisons of the ground test pressures along with selected data from the third flight are presented.

Rogers, R. C.↗
NASA NTRS2006

Evaluation Of Risk And Possible Mitigation Schemes For Previously Unidentified Hazards

This report presents the results of arc track testing conducted to determine if such a transfer of power to un-energized wires is possible and/or likely during an arcing event, and to evaluate an array of protection schemes that may significantly reduce the possibility of such a transfer. The results of these experiments may be useful for determining the level of protection necessary to guard against spurious voltage and current being applied to safety critical circuits. It was not the purpose of these experiments to determine the probability of the initiation of an arc track event only if an initiation did occur could it cause the undesired event: an inadvertent thruster firing. The primary wire insulation used in the Orbiter is aromatic polyimide, or Kapton , a construction known to arc track under certain conditions [3]. Previous Boeing testing has shown that arc tracks can initiate in aromatic polyimide insulated 28 volts direct current (VDC) power circuits using more realistic techniques such as chafing with an aluminum blade (simulating the corner of an avionics box or lip of a wire tray), or vibration of an aluminum plate against a wire bundle [4]. Therefore, an arc initiation technique was chosen that provided a reliable and consistent technique of starting the arc and not a realistic simulation of a scenario on the vehicle. Once an arc is initiated, the current, power and propagation characteristics of the arc depend on the power source, wire gauge and insulation type, circuit protection and series resistance rather than type of initiation. The initiation method employed for these tests was applying an oil and graphite mixture to the ends of a powered twisted pair wire. The flight configuration of the heater circuits, the fuel/oxider (or ox) wire, and the RCS jet solenoid were modeled in the test configuration so that the behavior of these components during an arcing event could be studied. To determine if coil activation would occur with various protection wire schemes, 145 tests were conducted using various fuel/ox wire alternatives (shielded and unshielded) and/or different combinations of polytetrafuloroethylene (PTFE), Mystik tape and convoluted wraps to prevent unwanted coil activation. Test results were evaluated along with other pertinent data and information to develop a mitigation strategy for an inadvertent RCS firing. The SSP evaluated civilian aircraft wiring failures to search for aging trends in assessing the wire-short hazard. Appendix 2 applies Weibull statistical methods to the same data with a similar purpose.

Linzey, William↗
NASA NTRS2012

Six-Tube Freezable Radiator Testing and Model Correlation

Freezable Radiators offer an attractive solution to the issue of thermal control system scalability. As thermal environments change, a freezable radiator will effectively scale the total heat rejection it is capable of as a function of the thermal environment and flow rate through the radiator. Scalable thermal control systems are a critical technology for spacecraft that will endure missions with widely varying thermal requirements. These changing requirements are a result of the spacecraft?s surroundings and because of different thermal loads rejected during different mission phases. However, freezing and thawing (recov ering) a freezable radiator is a process that has historically proven very difficult to predict through modeling, resulting in highly inaccurate predictions of recovery time. These predictions are a critical step in gaining the capability to quickly design and produce optimized freezable radiators for a range of mission requirements. This paper builds upon previous efforts made to correlate a Thermal Desktop(TM) model with empirical testing data from two test articles, with additional model modifications and empirical data from a sub-component radiator for a full scale design. Two working fluids were tested: MultiTherm WB-58 and a 50-50 mixture of DI water and Amsoil ANT.

Lilibridge, Sean T.↗
NASA NTRS2012

Propagation Regime of Iron Dust Flames

A flame propagating through an iron-dust mixture can propagate in two asymptotic regimes. When the characteristic time of heat transfer between particles is much smaller than the characteristic time of particle combustion, the flame propagates in the continuum regime where the heat released by reacting particles can be modelled as a space-averaged function. In contrast, when the characteristic time of heat transfer is much larger than the particle reaction time, the flame can no longer be treated as a continuum due to dominating effects associated with the discrete nature of the particle reaction. The discrete regime is characterized by weak dependence of the flame speed on the oxygen concentration compared to the continuum regime. The discrete regime is observed in flames propagating through an iron dust cloud within a gas mixture containing xenon, while the continuum regime is obtained when xenon is substituted with helium.

Tang, Francois-David↗
NASA NTRS2012

Sources of Sulfate Found in Mounds and Lakes at the Lewis Cliffs Ice Tongue, Transantarctic

Massive but highly localized Na-sulfate mounds (mirabilite, Na2SO4.10H2O) have been found at the terminal moraine of the Lewis Cliffs Ice Tongue (LCIT), Antarctica. (Sigma)34S and (Sigma)18O values of LCIT mirabilite range from +48.8 to +49.3% (CDT), and -16.6 to -17.1% (V-SMOW), respectively, while (Delta)17O average -0.37% (V-SMOW). LCIT mirabilite mounds are isotopically different from other mirabilite mounds found in coastal regions of Antarctica, which have isotope values close to seawater compositions. (Sigma)18O and (Delta)17O values suggest the incorporation of isotopically light glacial water. Data point to initial sulfate formation in an anoxic water body, either as a stratified anoxic deep lake on the surface, a sub-glacial water reservoir, or a sub-glacial lake. Several surface lakes of varying size are also present within this region of the LCIT, and in some cases are adjacent to the mirabilite mounds. O and D isotope compositions of surface lakes confirm they are derived from a mixture of glacial ice and snow that underwent moderate evaporation. (Sigma)18O and (Sigma)D (V-SMOW) values of snow, ice, and lake water range from -64.2 to -29.7%, and -456.0 to -231.7%, respectively. However, the isotope chemistry of these surface lakes is extremely different from the mounds. Dissolved SO4-2 (Sigma)34S and (Sigma)18O values range from +12.0 to +20.0% and -12.8 to -22.2% (the most negative (Sigma)18O of terrestrial sulfate ever reported), respectively, with sulfate (Delta)17O ranging from +0.93 to 2.24%. Ion chromatography data show that lake water is fresh to brackish in origin, with TDS less than 1500 ppm, and sulfate concentration less than 431 ppm. Isotope and chemical data suggest that these lakes are unlikely the source of the mirabilite mounds. We suggest that lake water sulfate is potentially composed of a mixture of atmospheric sulfate and minor components of sulfate of weathering origin, much like the sulfate in the polar plateau soils of the McMurdo Dry Valleys. A simple model explains mirabilite mound formation at the LCIT. Sulfur redox processes could occur sub-glacially as a result of liquid-water-based glacial conditions (Alpine style glacier), most likely formed by pressure melting of overlying ice (Aharon, GCA, 52, 2321-2331). We suggest that the aqueous base of the LCIT contains dissolved SO42- and is anoxic where sulfate reduction to H2S, HS-, or native sulfur takes place. Sulfide is removed by either precipitation as sulfide minerals or by escape of H2S (neither of which have been observed). Mirabilite precipitation is likely the result of evaporation or freezing of sulfate-rich brines as they reach the surface where they manifest themselves as mounds. Pressure from the overlying ice contributing to a pressure-melting scenario that creates the sub-glacial aqueous environment also contributes to the mechanism of upward transport of the sulfate-rich fluids. Further evidence to support this upward transport model comes from the nature of ice motion at the LCIT. Cassidy et al (Meteoritics, 27, 490-525, 1992) pointed out that it is the vertical ice motion in this area that creates the meteorite-stranding surface that could also account for upward transport of sulfate-rich fluids. Alternatively, mirabilite was deposited in a similar condition as present-day coastal Antarctica when the LCIT was wetter and warmer

Socki, Richard↗
NASA NTRS2012

Adhesion of Mineral and Soot Aerosols can Strongly Affect their Scattering and Absorption Properties

We use the numerically exact superposition T-matrix method to compute the optical cross sections and the Stokes scattering matrix for polydisperse mineral aerosols (modeled as homogeneous spheres) covered with a large number of much smaller soot particles. These results are compared with the Lorenz-Mie results for a uniform external mixture of mineral and soot aerosols. We show that the effect of soot particles adhering to large mineral particles can be to change the extinction and scattering cross sections and the asymmetry parameter quite substantially. The effect on the phase function and degree of linear polarization can be equally significant.

Mishchenko, Michael I.↗
NASA NTRS2021

Specific Heat of Epoxies and Mixtures Containing Silica, Carbon Lamp Black, and Graphite

We present specific heat measurements in the 2 – 20 K range of several commercially available epoxies (Stycast 1266, Stycast 2850FT, EPO-TEK 377, and EPO-TEK 377H) and mixtures of one of these epoxy binders and fillers such as silica, carbon lamp black, and graphite. The results are briefly described in the context of the Debye model.

Thermosetting polymers↗